SCHEMBL5706404

SCHEMBL5706404

CN[C@@H](c1cccc(C#Cc2ccc(/C=C/C(=O)O)cc2)c1)C1CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.53
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 2/20 0.39
RXRA P19793 1/20 0.37
NR4A2 P43354 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
HCAR2 Q8TDS4 2/20 0.35
HDAC3 O15379 1/20 0.35
TNKS O95271 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22207642 0.72 FFAR1 (1.00) FFAR1KDM4EMAPK1AKR1C3AKR1C2
SCHEMBL27792994 0.72 FFAR1 (1.00) FFAR1KDM4EMAPK1AKR1C3AKR1C2
SCHEMBL4513984 0.72 FFAR1 (0.57) FFAR1KDM4EMAPK1AKR1C3AKR1C2
SCHEMBL4513979 0.72 FFAR1 (0.57) FFAR1KDM4EMAPK1AKR1C3AKR1C2
SCHEMBL4523880 0.72 FFAR1 (0.53) FFAR1
SCHEMBL4523863 0.72 FFAR1 (0.53) FFAR1
SCHEMBL4513973 0.71 FFAR1 (0.56) FFAR1KDM4EAKR1C3AKR1C2HCAR2
SCHEMBL4523871 0.70 FFAR1 (0.54) FFAR1AKR1C3AKR1C2HDAC3HDAC4
SCHEMBL4519151 0.70 FFAR1 (0.66) FFAR1KDM4EMAPK1HCAR2HDAC3
SCHEMBL4519154 0.70 FFAR1 (0.66) FFAR1KDM4EMAPK1HCAR2HDAC3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1696899-A1 METHODS FOR TREATING RETINOID RESPONSIVE DISORDERS USING SELECTIVE INHIBITORS OF CYP26A AND CYP26B ALLERGAN, INC. (US) 2006-09-06 EP disclosed
WO-2005058301-A1 METHODS FOR TREATING RETINOID RESPONSIVE DISORDERS USING SELECTIVE INHIBITORS OF CYP26A AND CYP26B ALLERGAN, INC. (US) 2005-06-30 WO disclosed